SCHEMBL2622429

SCHEMBL2622429

CC(CN)c1ccc2nc(Oc3ccc(Oc4ccccc4)cc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
SCN4A P35499 2/20 0.40
FSCN1 Q16658 1/20 0.39
LTA4H P09960 4/20 0.39
SCN9A Q15858 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ACACB O00763 1/20 0.39
KCNH2 Q12809 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4519178 0.88 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL4512358 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL2622431 0.86 L3MBTL1 (0.55) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL15252374 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL4513929 0.84 TDP1 (0.52) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL4519186 0.82 NPC1 (0.52) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL4529521 0.81 TDP1 (0.49) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL18269847 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL2622428 0.79 ACACB (0.48) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL4514258 0.78 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 EP claimed
US-8207350-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES (US) 2012-06-26 US claimed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 US claimed
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 US claimed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 EP disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
US-8207350-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES (US) 2012-06-26 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 US disclosed
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 SMN1; SMN2 2585/4885NPC1 1849/4885RAB9A 1796/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 SMN1; SMN2 2585/4885NPC1 1849/4885RAB9A 1796/4885
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 SMN1; SMN2 4871/4885NPC1 771/4885RAB9A 3796/4885
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ACACA, ACACB, ACAT1 SMN1; SMN2 4871/4885NPC1 771/4885RAB9A 3796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.